4-[[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-ium-1-yl]methyl]-7-methoxy-coumarin Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CC[NH+](CC3)CC4=CC(=O)OC5=C4C=CC(=C5)OC

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N3CC[NH+](CC3)CC4=CC(=O)OC5=C4C=CC(=C5)OC

InChI

InChI=1S/C24H25N3O3S/c1-16(24-25-20-5-3-4-6-22(20)31-24)27-11-9-26(10-12-27)15-17-13-23(28)30-21-14-18(29-2)7-8-19(17)21/h3-8,13-14,16H,9-12,15H2,1-2H3/p+1/t16-/m1/s1